Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 3/20 | 0.43 |
| ▸ | NOS1 | P29475 | 3/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9473314 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HTTNOS3NOS1NOS2 | |
| SCHEMBL9473284 | 0.92 | ALDH1A1 (0.45) | ALDH1A1HTTTP53CYP2C9RXFP1 | |
| SCHEMBL9473280 | 0.92 | ALDH1A1 (0.45) | ALDH1A1HTTTP53CYP2C9RXFP1 | |
| SCHEMBL9474710 | 0.84 | TP53 (0.40) | TP53RXFP1 | |
| SCHEMBL9473700 | 0.81 | CDK2 (0.42) | NOS3NOS1NOS2TP53CNR2 | |
| SCHEMBL9473390 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TP53CYP2D6CYP2C9POLB | |
| SCHEMBL9474084 | 0.80 | MEN1 (0.42) | — | |
| SCHEMBL9473162 | 0.80 | MEN1 (0.42) | — | |
| SCHEMBL9473207 | 0.80 | PDE5A (0.41) | — | |
| SCHEMBL9473199 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TP53RXFP1POLBHSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5234917-A | Hypotensive agent, treatment of renal failure or glaucoma | SMITHKLINE BEECHAM CORPORATION | 1993-08-10 | — | — | US | disclosed |
| EP-0437103-A2 | Substituted 5-(alkyl)carboxamide imidazoles | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-17 | — | — | EP | disclosed |